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3512-13-8 molecular structure
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2,3,4,6-tetrafluoropyridine

ChemBase ID: 93806
Molecular Formular: C5HF4N
Molecular Mass: 151.0617528
Monoisotopic Mass: 151.00451192
SMILES and InChIs

SMILES:
n1c(c(c(cc1F)F)F)F
Canonical SMILES:
Fc1cc(F)c(c(n1)F)F
InChI:
InChI=1S/C5HF4N/c6-2-1-3(7)10-5(9)4(2)8/h1H
InChIKey:
NOQFPTRRIPJRMG-UHFFFAOYSA-N

Cite this record

CBID:93806 http://www.chembase.cn/molecule-93806.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,4,6-tetrafluoropyridine
IUPAC Traditional name
2,3,4,6-tetrafluoropyridine
Synonyms
2,3,4,6-Tetrafluoropyridine
2,3,4,6-tetrafluoropyridine
2,3,4,6-四氟吡啶
CAS Number
3512-13-8
EC Number
000-000-0
MDL Number
MFCD03001159
Beilstein Number
1368002
PubChem SID
162080471
PubChem CID
2783279

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2783279 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1142426  LogD (pH = 7.4) 2.1142426 
Log P 2.1142426  Molar Refractivity 26.7961 cm3
Polarizability 8.883659 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
88-90°C expand Show data source
88-90°C expand Show data source
Refractive Index
1.399 expand Show data source
1.3990 expand Show data source
Storage Warning
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN1760 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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